Geometry & MOs

Info

ID:	20165
PubChem CID:	580694
Reduced:	BrClN2O2H14C19 (1)
Stoich.:	ABC2D2E14F19 (1)
Weight, g/mol:	415.99272
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	8.47
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(2-chlorophenyl)methoxy]-N-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C(=O)NC3=CN=CC=C3)Cl

DOS

IR

Vibrations